3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine

C17H20N4O2 — CID 94748494

IUPAC3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine
SMILESCOc1cc2nc(-c3ccccn3)n(CCCN)c2cc1OC
InChIInChI=1S/C17H20N4O2/c1-22-15-10-13-14(11-16(15)23-2)21(9-5-7-18)17(20-13)12-6-3-4-8-19-12/h3-4,6,8,10-11H,5,7,9,18H2,1-2H3
InChIKeyNBOJLCJWXVPDEY-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.46
Rot. Bonds6

About 3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine

3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine (PubChem CID 94748494) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine
PubChem CID94748494
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine
SMILESCOc1cc2nc(-c3ccccn3)n(CCCN)c2cc1OC
InChIInChI=1S/C17H20N4O2/c1-22-15-10-13-14(11-16(15)23-2)21(9-5-7-18)17(20-13)12-6-3-4-8-19-12/h3-4,6,8,10-11H,5,7,9,18H2,1-2H3
InChIKeyNBOJLCJWXVPDEY-UHFFFAOYSA-N
XLogP2.46
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine?
The IUPAC name of 3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine (CID 94748494) is 3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine is COc1cc2nc(-c3ccccn3)n(CCCN)c2cc1OC.
What is the InChIKey of 3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine?
The InChIKey is NBOJLCJWXVPDEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-22-15-10-13-14(11-16(15)23-2)21(9-5-7-18)17(20-13)12-6-3-4-8-19-12/h3-4,6,8,10-11H,5,7,9,18H2,1-2H3.
What are the key properties of 3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine?
3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine has a molecular weight of 312.37 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethoxy-2-pyridin-2-ylbenzimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 94748494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).